Methyl 4-hydroxybenzoate 4-羟基苯甲酸甲酯

CAS 99-76-3 MFCD00002352

化学结构图

99-76-3
SMILES: COC(=O)c1ccc(O)cc1

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Melting Point125-128°C
TSCAYes
Boiling Point280 °C at 760 mmHg
Density1.209
Stability对湿度敏感
Flash Point280°C
Solubility不溶于水，微溶于苯、四氯化碳，溶于醇、醚、丙酮。

别名和识别编码

Chemical NameMethyl 4-hydroxybenzoate
Synonym Methyl paraben {LY} Methyl paraben {} {LY} Methyl paraben {} {} {LY} Methyl paraben {} {} {} {LY} Methyl paraben {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl paraben {} {} {} {} {} {} {} {
CAS Number99-76-3
PubChem Substance ID7456
EC Number202-785-7
Beilstein Registry Number509801
MDL NumberMFCD00002352
Reaxys-RN509801
Merck Number6107
Chemical Name Translation4-羟基苯甲酸甲酯
InChIKeyLXCFILQKKLGQFO-UHFFFAOYSA-N
Wiswesser Line NotationQR DVO1
LabNetwork Molecule IDLN00196460
InChIInChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
Canonical SMILESO=C(OC)C1=CC=C(O)C=C1
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分类

  • Allergens, Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetic Standards, E numbers (Food Additives), E200–E299 (preservatives), E218, Food & Beverage Standards, Parabens, Pharmaceutical Secondary Standards,
  • {SNA} Analytical Standards, EP Standards, EP Standards L - M, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Follows IFRA Guidelines, I-N, Kosher Certified Products, M-N
  • {SNA} Core Bioreagents, Enzyme Inhibitors, Research Essentials
  • {SNA} Bioactive Small Molecule Alphabetical Index, M,

产品应用

  • 防腐杀菌剂。
  • 昆虫细胞培养级用于研究类固醇激素，如类固酮(testerone)的生物合成。

相关文献及参考

  • Merck: 14,6107
  • Merck: 14,6107 Beilstein: 10,IV,360
  • [1]. Soni MG, et al. Evaluation of the health aspects of methyl paraben: a review of the published literature. Food Chem Toxicol. 2002 Oct;40(10):1335-73.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSDH2450000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P333+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {}
UN Number UN 2769 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 128,135,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 53A,81,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 960 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - ataxia
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 45,260,1956

{hazard_com}

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 500 mg/L
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (96),55,1978

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 125 mg/L/27H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 66,277,1979

其他信息

  • Sigma Aldrich:99-76-3(sigmaaldrich)
  • 参考质量标准:FAO/WHO，1998 含量(以干基计) ≥99.0% 干燥失重(硅胶上5h) ≤0.5% 硫酸盐灰分(GT-5；试样2.0g) ≤0.05% 酸度试验 阴性 对羟基苯甲酸及水杨酸试验 阴性 铅(原子吸收法) ≤2mg/kg
  • 毒性分级:中毒
  • FEMA:2710
  • MSDS 信息:对羟基苯甲酸甲酯(99-76-3).msds
  • TCI Shanghai:4-羟基苯甲酸甲酯 Methyl 4-Hydroxybenzoate,>;99.0
  • 使用限量:FAO/WHO(1984)；果酱、果冻，1000mg/kg(单用或与苯甲酸盐类、山梨酸及山梨酸钾合用量)。 EEC(1990，mg/kg)：准用于色素溶液、增香糖浆、咖啡抽提液、冷冻饮料、水果攀、葡萄糖和软饮料、腌渍鱼、沙拉、沙司、小吃食品、浓缩汤等，以GMP为限；啤酒70；小吃谷物和汤料浓缩物175，余同“07018对羟基苯甲酸丙酯”。 HACSG列为限用名单。 FDA，§184．1490(2000)：0.1%。
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 海关编码:29182930
  • 急性毒性:腹腔-小鼠 LD50: 960 毫克/公斤
  • 方法二:由对羟基苯甲酸与甲醇酯化而得。将对羟基苯甲酸加入过量的甲醇中溶解，搅拌下缓缓加入浓硫酸。加热回流10h后倒入水中析出结晶，经水洗、碳酸钠溶液洗、水洗，得粗品。用水或25%乙醇重结晶而得成品。收率为85%。原料消耗（kg/t）对羟基苯甲酸 1200甲醇 1000
  • 图谱信息:尼泊金甲酯(99-76-3)红外图谱(IR2) 尼泊金甲酯(99-76-3)核磁图( 1 HNMR) 尼泊金甲酯(99-76-3)质谱(MS) 尼泊金甲酯(99-76-3)Raman光谱 尼泊金甲酯(99-76-3)红外图谱(IR1) 尼泊金甲酯(99-76-
  • 无气味或微有刺激性焦灼味。溶于醇、醚和丙酮，微溶于苯和四氯化
  • Alfa Aesar:4-羟基-苯甲酸甲酯,99% Methyl 4-hydroxybenzoate, 99%(99-76-3)
  • {Chemical
  • MOL 文件:99-76-3.mol
  • 尼泊金甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30119426 对羟基苯甲酸甲酯 100g 31.8元 2011/08/23 xp400099 对羟基苯甲酸甲酯 5g 41.7元 2011/08/23 30119470 对羟基苯甲酸甲酯 1kg 95元
  • 凝固点:131℃
  • 用途二:用作防腐剂，也用于医药及有机合成
  • 外观性质:无色结晶或白色结晶性粉末, 无气味或微有刺激性气味。
  • 类别:有毒物质
  • 用途一:用作食品、化妆品及医药防霉剂
  • 含量分析:方法一按“对羟基苯甲酸丁酯(07002)”中含量分析方法测定。每mL Imol/L氢氧化钠相当于本品(C8H8O3)152.2mg。 方法二 取预先在硅胶上干燥5h后的试样0.1g(准确至lmg)，移入300ml具玻塞烧瓶。加lmol/L氢氧化钠10ml，在水浴上加热15min。冷却后，加0.1mol/L溴酸钾50.00ml、溴化钾5.0g和lmol/L盐酸30ml。密塞后于暗室内放置15min。加碘化钾1g，剧烈摇动烧瓶，用0.1mol/L硫代硫酸钠滴定，用淀粉试液(TS-235)作为指示剂。每ml0.1mol/L溴酸钾相当于本品(C8H8O3)25.36mg。
  • Acros Organics:4
  • 用途三:防腐剂；抗微生物剂。
  • 下游产品:3-氰基-4-羟基苯甲酸 --> 溶致液晶高分子聚苯并[口恶]唑 --> 4-(2-吗啉-4-基-乙氧基)苯甲酸 --> 4-异丙氧苯甲酸

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. M - Bioactive Small Molecules
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  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs & Metabolites - Forensic and Veterinary Standards
  6. Neat Compounds - Drugs & Metabolites
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  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. E numbers (Food Additives) - Food & Beverage Standards
  6. E200–E299 (preservatives) - E numbers (Food Additives)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
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